SCHEMBL9015147

SCHEMBL9015147

O=[N+]([O-])c1cc(-c2ccc(Cl)c(Cl)c2)[nH]c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 2/20 0.43
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9015125 0.73 PSD (0.47) PSDTSHRALDH1A1HSD17B10MAPT
SCHEMBL9015099 0.73 PSD (0.47) PSDTSHRALDH1A1HSD17B10MAPT
SCHEMBL9339859 0.72 PSD (0.41) PSDTSHRALDH1A1HPGDHSD17B10
SCHEMBL9015111 0.71 HSD17B10 (0.43) HSD17B10MAPTKDM4EMEN1USP2
SCHEMBL9015076 0.70 PSD (0.44) PSDTSHRALDH1A1HSD17B10MEN1
SCHEMBL9015142 0.70 PSD (0.44) PSDTSHRALDH1A1HSD17B10MEN1
SCHEMBL9015144 0.70 PSD (0.42) PSDTSHRALDH1A1HSD17B10MEN1
SCHEMBL27260794 0.67 CYP3A4 (0.42) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL9229308 0.67 HSD17B10 (0.46) TDP1TSHRALDH1A1HSD17B10MAPT
SCHEMBL9226796 0.67 HSD17B10 (0.42) TDP1TSHRALDH1A1HSD17B10MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487870-B1 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID CO (US) 1996-12-18 EP claimed